Glycoside
GD156089
Name:
6-(butan-2-yloxy)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxane-3,4-diolFormula:
C16H24O7Smiles:
CCC(C)OC1OC(CO)C(O)C(O)C1Oc1ccc(O)cc1Aglycone:
CCC(C)O.Oc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 108.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD15380
Formula: C4H10O
Smiles:
CCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
